Glycoside
GD037375
Name:
NoneFormula:
C24H26O9N7FSmiles:
O=C(O)CC[C@H](NC(=O)Cn1cc(-c2cccc(F)c2)nn1)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(CCC(=O)O)NC(=O)Cn1cc(-c2cccc(F)c2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 575.51 | Num_heavy_atoms: | 41 |
| TPSA: | 230.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD23549
Formula: C16H18O4N5F
Smiles:
CNC(=O)C(CCC(=O)O)NC(=O)Cn1cc(-c2cccc(F)c2)nn1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 363.35 | Num_heavy_atoms: | 26 |
| TPSA: | 126.21 | NumAromaticRings: | 2 |
